SCHEMBL6073600

SCHEMBL6073600

COc1ccc2c(c1)C(C)(C)CC(=O)N2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
NQO2 P16083 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
SNCA P37840 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
BACE1 P56817 2/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9682238 0.83 HDAC3 (0.45) LMNAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9141848 0.79 NPC1 (0.41) LMNAALDH1A1HPGDHTTMAPT
SCHEMBL9141852 0.79 NPC1 (0.50) LMNAALDH1A1HPGDHTTMAPT
SCHEMBL9593284 0.78 CYP19A1 (0.46) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL5736954 0.78 HDAC1 (0.47) LMNAALDH1A1HPGDHDAC3HDAC4
SCHEMBL28250120 0.76 MAPT (0.60) LMNAALDH1A1NQO2MAPTPOLB
SCHEMBL9593368 0.76 ALDH1A1 (0.51) LMNAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL6770006 0.75 HDAC1 (0.56) LMNAHPGDHDAC3HDAC4HDAC1
SCHEMBL9593493 0.75 HDAC1 (0.56) LMNAHDAC3HDAC4HDAC1HDAC2
SCHEMBL3310206 0.74 ALDH1A1 (0.40) LMNAALDH1A1HPGDNQO2SNCA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 LMNA 3704/4885ALDH1A1 732/4885HPGD 257/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.